(2Z)-2-[(3-bromophenyl)methylidene]-6-[(3-chlorophenyl)methoxy]-1-benzofuran-3-one
Formula:C22H14O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-bromophenyl)methylidene]-6-[(3-chlorophenyl)methoxy]-1-benzofuran-3-one is not a drug-like molecule.
| MolName | (2Z)-2-[(3-bromophenyl)methylidene]-6-[(3-chlorophenyl)methoxy]-1-benzofuran-3-one |
| MolecularFormula | C22H14O3BrCl |
| Smiles | O=C1c(ccc(OCc2cc(Cl)ccc2)c2)c2O/C1=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C22H14BrClO3/c23-16-5-1-3-14(9-16)11-21-22(25)19-8-7-18(12-20(19)27-21)26-13-15-4-2-6-17(24)10-15/h1-12H,13H2 |
| InChIK | IAVSPBWNOHLHJC-UHFFFAOYSA-N |
| TotalMolweight | 441.707 |
| Molweight | 441.707 |
| MonoisotopicMass | 439.981483 |
| CLogP | 5.9979 |
| CLogS | -7.053 |
| H Acceptors | 3 |
| TotalSurfaceArea | 289.55 |
| Relative PSA | 0.11411 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -1.834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon |
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